4-[(5,5-dimethyl-8-phenyl-6H-naphthalen-2-yl)sulfanylcarbonylamino]benzoic acid

Systemtic Name: 4-[(5,5-dimethyl-8-phenyl-6H-naphthalen-2-yl)sulfanylcarbonylamino]benzoic acid Openeye Name: 4-[(5,5-dimethyl-8-phenyl-6H-naphthalen-2-yl)sulfanylcarbonylamino]benzoic acid CAS Name: 4-[[[(5,5-dimethyl-8-phenyl-6H-naphthalen-2-yl)thio]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(5,5-dimethyl-8-phenyl-6H-naphthalen-2-yl)sulfanylcarbonylamino]benzoic acid Traditional Name: 4-[[(5,5-dimethyl-8-phenyl-6H-naphthalen-2-yl)thio]carbonylamino]benzoic acid Formula: C26H23NO3S MolecularWeight: 429.53072

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=C(C2=C1C=CC(=C2)SC(=O)NC3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4)C

Isomeric SMILES

CC1(CC=C(C2=C1C=CC(=C2)SC(=O)NC3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4)C

InChI

InChI=1S/C26H23NO3S/c1-26(2)15-14-21(17-6-4-3-5-7-17)22-16-20(12-13-23(22)26)31-25(30)27-19-10-8-18(9-11-19)24(28)29/h3-14,16H,15H2,1-2H3,(H,27,30)(H,28,29)